3-(cyclohexylamino)-2-methoxycyclopent-2-en-1-one

C12H19NO2 — CID 54045795

IUPAC3-(cyclohexylamino)-2-methoxycyclopent-2-en-1-one
SMILESCOC1=C(NC2CCCCC2)CCC1=O
InChIInChI=1S/C12H19NO2/c1-15-12-10(7-8-11(12)14)13-9-5-3-2-4-6-9/h9,13H,2-8H2,1H3
InChIKeyLPMVCIOXHPWUIE-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.13
Rot. Bonds3

About 3-(cyclohexylamino)-2-methoxycyclopent-2-en-1-one

3-(cyclohexylamino)-2-methoxycyclopent-2-en-1-one (PubChem CID 54045795) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(cyclohexylamino)-2-methoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(cyclohexylamino)-2-methoxycyclopent-2-en-1-one
PubChem CID54045795
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-(cyclohexylamino)-2-methoxycyclopent-2-en-1-one
SMILESCOC1=C(NC2CCCCC2)CCC1=O
InChIInChI=1S/C12H19NO2/c1-15-12-10(7-8-11(12)14)13-9-5-3-2-4-6-9/h9,13H,2-8H2,1H3
InChIKeyLPMVCIOXHPWUIE-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-2-methoxycyclopent-2-en-1-one?
The IUPAC name of 3-(cyclohexylamino)-2-methoxycyclopent-2-en-1-one (CID 54045795) is 3-(cyclohexylamino)-2-methoxycyclopent-2-en-1-one.
What is the SMILES notation for 3-(cyclohexylamino)-2-methoxycyclopent-2-en-1-one?
The canonical SMILES for 3-(cyclohexylamino)-2-methoxycyclopent-2-en-1-one is COC1=C(NC2CCCCC2)CCC1=O.
What is the InChIKey of 3-(cyclohexylamino)-2-methoxycyclopent-2-en-1-one?
The InChIKey is LPMVCIOXHPWUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-15-12-10(7-8-11(12)14)13-9-5-3-2-4-6-9/h9,13H,2-8H2,1H3.
What are the key properties of 3-(cyclohexylamino)-2-methoxycyclopent-2-en-1-one?
3-(cyclohexylamino)-2-methoxycyclopent-2-en-1-one has a molecular weight of 209.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-2-methoxycyclopent-2-en-1-one is sourced from PubChem (CID 54045795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).